3-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol

Systemtic Name: 3-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol Openeye Name: 3-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol CAS Name: 3-[[4-[2-(1-azepanyl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol IUPAC Name: 3-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol Traditional Name: 3-[4-[2-(azepan-1-yl)ethoxy]benzyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol Formula: C29H31NO3S MolecularWeight: 473.62634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C29H31NO3S/c31-23-9-7-22(8-10-23)29-27(26-14-11-24(32)20-28(26)34-29)19-21-5-12-25(13-6-21)33-18-17-30-15-3-1-2-4-16-30/h5-14,20,31-32H,1-4,15-19H2